3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-(4-methylthiazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-[(4-methyl-2-thiazolyl)thio]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-[(4-methylthiazol-2-yl)thio]xanthine Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CSC(=N1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

InChI

InChI=1S/C13H13N5O2S2/c1-4-5-18-8-9(17(3)11(20)16-10(8)19)15-12(18)22-13-14-7(2)6-21-13/h4,6H,1,5H2,2-3H3,(H,16,19,20)